(3Z,5Z)-1-benzazocine;hydrochloride

C11H10ClN — CID 19012256

IUPAC(3Z,5Z)-1-benzazocine;hydrochloride
SMILESC1=C\C=N/c2ccccc2\C=C/1.Cl
InChIInChI=1S/C11H9N.ClH/c1-2-6-10-7-3-4-8-11(10)12-9-5-1;/h1-9H;1H/b2-1-,5-1-,6-2-,9-5-,10-6-,12-9-,12-11-;
InChIKeyATTYHEKHUXSBNN-JSDQSPIGSA-N
MW191.66 g/mol
LogP3.39
Rot. Bonds

About (3Z,5Z)-1-benzazocine;hydrochloride

(3Z,5Z)-1-benzazocine;hydrochloride (PubChem CID 19012256) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is (3Z,5Z)-1-benzazocine;hydrochloride.

Molecular Properties

Compound Name(3Z,5Z)-1-benzazocine;hydrochloride
PubChem CID19012256
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name(3Z,5Z)-1-benzazocine;hydrochloride
SMILESC1=C\C=N/c2ccccc2\C=C/1.Cl
InChIInChI=1S/C11H9N.ClH/c1-2-6-10-7-3-4-8-11(10)12-9-5-1;/h1-9H;1H/b2-1-,5-1-,6-2-,9-5-,10-6-,12-9-,12-11-;
InChIKeyATTYHEKHUXSBNN-JSDQSPIGSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-benzazocine;hydrochloride?
The IUPAC name of (3Z,5Z)-1-benzazocine;hydrochloride (CID 19012256) is (3Z,5Z)-1-benzazocine;hydrochloride.
What is the SMILES notation for (3Z,5Z)-1-benzazocine;hydrochloride?
The canonical SMILES for (3Z,5Z)-1-benzazocine;hydrochloride is C1=C\C=N/c2ccccc2\C=C/1.Cl.
What is the InChIKey of (3Z,5Z)-1-benzazocine;hydrochloride?
The InChIKey is ATTYHEKHUXSBNN-JSDQSPIGSA-N. The full InChI is InChI=1S/C11H9N.ClH/c1-2-6-10-7-3-4-8-11(10)12-9-5-1;/h1-9H;1H/b2-1-,5-1-,6-2-,9-5-,10-6-,12-9-,12-11-;.
What are the key properties of (3Z,5Z)-1-benzazocine;hydrochloride?
(3Z,5Z)-1-benzazocine;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-benzazocine;hydrochloride is sourced from PubChem (CID 19012256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).